N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

C20H17N3O3 — CID 113016484

IUPACN-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C20H17N3O3/c1-23(16-5-3-2-4-6-16)19-10-8-15(12-21-19)22-20(24)14-7-9-17-18(11-14)26-13-25-17/h2-12H,13H2,1H3,(H,22,24)
InChIKeyLKINHLVCWLPOPY-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.83
Rot. Bonds4

About N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide

N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113016484) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
PubChem CID113016484
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C20H17N3O3/c1-23(16-5-3-2-4-6-16)19-10-8-15(12-21-19)22-20(24)14-7-9-17-18(11-14)26-13-25-17/h2-12H,13H2,1H3,(H,22,24)
InChIKeyLKINHLVCWLPOPY-UHFFFAOYSA-N
XLogP3.83
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113013536
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113012694
N-[4-[benzyl(methyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982312
N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162326
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113019421
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113034521
N-[6-(4-benzoylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 42850096
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
6-(N-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109162323
N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 84581832
N-[6-(3-acetylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113020338
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide (CID 113016484) is N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is CN(c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cn1.
What is the InChIKey of N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is LKINHLVCWLPOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-23(16-5-3-2-4-6-16)19-10-8-15(12-21-19)22-20(24)14-7-9-17-18(11-14)26-13-25-17/h2-12H,13H2,1H3,(H,22,24).
What are the key properties of N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide?
N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113016484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).